enviPat: Isotope Pattern, Profile and Centroid Calculation for Mass Spectrometry

Fast and very memory-efficient calculation of isotope patterns, subsequent convolution to theoretical envelopes (profiles) plus valley detection and centroidization or intensoid calculation. Batch processing, resolution interpolation, wrapper, adduct calculations and molecular formula parsing. Loos, M., Gerber, C., Corona, F., Hollender, J., Singer, H. (2015) <doi:10.1021/acs.analchem.5b00941>.

Version: 2.4
Published: 2019-04-07
Author: Martin Loos, Christian Gerber
Maintainer: Martin Loos <mloos at envibee.ch>
BugReports: https://github.com/blosloos/enviPat/issues
License: GPL-2
URL: http://www.envipat.eawag.ch/, http://pubs.acs.org/doi/abs/10.1021/acs.analchem.5b00941
NeedsCompilation: yes
Citation: enviPat citation info
Materials: NEWS
CRAN checks: enviPat results

Downloads:

Reference manual: enviPat.pdf
Package source: enviPat_2.4.tar.gz
Windows binaries: r-devel: enviPat_2.4.zip, r-release: enviPat_2.4.zip, r-oldrel: enviPat_2.4.zip
macOS binaries: r-release: enviPat_2.4.tgz, r-oldrel: enviPat_2.4.tgz
Old sources: enviPat archive

Reverse dependencies:

Reverse depends: nontarget
Reverse imports: InterpretMSSpectrum, RMassBank

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